CID 42997

59288-10-7

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂

SMILES

CNC1=C(C(=O)OC2=CC=CC=C21)N

InChI

InChI=1S/C10H10N2O2/c1-12-9-6-4-2-3-5-7(6)14-10(13)8(9)11/h2-5,12H,11H2,1H3

InChIKey

VUGQMTSDCGZIHF-UHFFFAOYSA-N

Compound name

3-amino-4-(methylamino)chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1
Patents: 190.07423 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	191.08151	137.1
[M+Na]+	213.06345	147.0
[M-H]-	189.06695	142.9
[M+NH4]+	208.10805	156.3
[M+K]+	229.03739	145.0
[M+H-H2O]+	173.07149	130.8
[M+HCOO]-	235.07243	162.3
[M+CH3COO]-	249.08808	187.9
[M+Na-2H]-	211.04890	146.4
[M]+	190.07368	137.8
[M]-	190.07478	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe